5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine

C14H18ClF3N2 — CID 130184615

IUPAC5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESCC(C)[C@@]1(C)CCN(c2cc(C(F)(F)F)c(Cl)cn2)C1
InChIInChI=1S/C14H18ClF3N2/c1-9(2)13(3)4-5-20(8-13)12-6-10(14(16,17)18)11(15)7-19-12/h6-7,9H,4-5,8H2,1-3H3/t13-/m0/s1
InChIKeyTZYIASVGORUQAY-ZDUSSCGKSA-N
MW306.76 g/mol
LogP4.63
Rot. Bonds2

About 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine

5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine (PubChem CID 130184615) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
PubChem CID130184615
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
SMILESCC(C)[C@@]1(C)CCN(c2cc(C(F)(F)F)c(Cl)cn2)C1
InChIInChI=1S/C14H18ClF3N2/c1-9(2)13(3)4-5-20(8-13)12-6-10(14(16,17)18)11(15)7-19-12/h6-7,9H,4-5,8H2,1-3H3/t13-/m0/s1
InChIKeyTZYIASVGORUQAY-ZDUSSCGKSA-N
XLogP4.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine (CID 130184615) is 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine is CC(C)[C@@]1(C)CCN(c2cc(C(F)(F)F)c(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is TZYIASVGORUQAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-9(2)13(3)4-5-20(8-13)12-6-10(14(16,17)18)11(15)7-19-12/h6-7,9H,4-5,8H2,1-3H3/t13-/m0/s1.
What are the key properties of 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine?
5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 306.76 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130184615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).